1-(2,3-dihydrothiophen-2-yl)-5-methylhexan-3-ol

C11H20OS — CID 71013581

IUPAC1-(2,3-dihydrothiophen-2-yl)-5-methylhexan-3-ol
SMILESCC(C)CC(O)CCC1CC=CS1
InChIInChI=1S/C11H20OS/c1-9(2)8-10(12)5-6-11-4-3-7-13-11/h3,7,9-12H,4-6,8H2,1-2H3
InChIKeyJDNGFNITBORXOX-UHFFFAOYSA-N
MW200.35 g/mol
LogP3.19
Rot. Bonds5

About 1-(2,3-dihydrothiophen-2-yl)-5-methylhexan-3-ol

1-(2,3-dihydrothiophen-2-yl)-5-methylhexan-3-ol (PubChem CID 71013581) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is 1-(2,3-dihydrothiophen-2-yl)-5-methylhexan-3-ol.

Molecular Properties

Compound Name1-(2,3-dihydrothiophen-2-yl)-5-methylhexan-3-ol
PubChem CID71013581
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name1-(2,3-dihydrothiophen-2-yl)-5-methylhexan-3-ol
SMILESCC(C)CC(O)CCC1CC=CS1
InChIInChI=1S/C11H20OS/c1-9(2)8-10(12)5-6-11-4-3-7-13-11/h3,7,9-12H,4-6,8H2,1-2H3
InChIKeyJDNGFNITBORXOX-UHFFFAOYSA-N
XLogP3.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrothiophen-2-yl)-5-methylhexan-3-ol?
The IUPAC name of 1-(2,3-dihydrothiophen-2-yl)-5-methylhexan-3-ol (CID 71013581) is 1-(2,3-dihydrothiophen-2-yl)-5-methylhexan-3-ol.
What is the SMILES notation for 1-(2,3-dihydrothiophen-2-yl)-5-methylhexan-3-ol?
The canonical SMILES for 1-(2,3-dihydrothiophen-2-yl)-5-methylhexan-3-ol is CC(C)CC(O)CCC1CC=CS1.
What is the InChIKey of 1-(2,3-dihydrothiophen-2-yl)-5-methylhexan-3-ol?
The InChIKey is JDNGFNITBORXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS/c1-9(2)8-10(12)5-6-11-4-3-7-13-11/h3,7,9-12H,4-6,8H2,1-2H3.
What are the key properties of 1-(2,3-dihydrothiophen-2-yl)-5-methylhexan-3-ol?
1-(2,3-dihydrothiophen-2-yl)-5-methylhexan-3-ol has a molecular weight of 200.35 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrothiophen-2-yl)-5-methylhexan-3-ol is sourced from PubChem (CID 71013581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).